SCHEMBL7192181

SCHEMBL7192181

COc1ccc(Cn2c(=O)n(C3CCCCC3)c3ccc(C#N)cc32)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 3/20 0.45
PDE7B Q9NP56 2/20 0.44
PDE5A O76074 14/20 0.44
DRD4 P21917 1/20 0.43
ALK Q9UM73 1/20 0.41
PDE2A O00408 2/20 0.41
HSD11B1 P28845 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7182981 1.00 PDE7A (0.45) PDE7APDE7BPDE5ADRD4ALK
SCHEMBL7183896 0.99 PDE7A (0.45) PDE7APDE7BPDE5ADRD4ALK
SCHEMBL7178553 0.92 PDE5A (0.47) PDE7APDE7BPDE5ADRD4PDE2A
SCHEMBL7178544 0.92 PDE5A (0.47) PDE7APDE7BPDE5ADRD4PDE2A
SCHEMBL7185263 0.92 PDE5A (0.47) PDE7APDE7BPDE5ADRD4PDE2A
SCHEMBL7183853 0.92 PDE7A (0.44) PDE7APDE7BPDE5ADRD4PDE2A
SCHEMBL7178238 0.92 PDE1A (0.46) PDE7APDE7BPDE5ADRD4PDE2A
SCHEMBL7191388 0.91 PDE7A (0.47) PDE7APDE7BPDE5ADRD4ALK
SCHEMBL7184738 0.91 PDE7A (0.44) PDE7APDE7BPDE5ADRD4PDE2A
SCHEMBL7184745 0.91 PDE7A (0.44) PDE7APDE7BPDE5ADRD4PDE2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed
EP-1196391-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-17 EP disclosed
WO-2001005770-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-25 WO disclosed